trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol

C11H21NOS — CID 131223427

IUPACtrans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol
SMILESCC1CC(N[C@H]2CCCC[C@@H]2O)CS1
InChIInChI=1S/C11H21NOS/c1-8-6-9(7-14-8)12-10-4-2-3-5-11(10)13/h8-13H,2-7H2,1H3/t8?,9?,10-,11-/m0/s1
InChIKeyOFYBGQAKQWEBER-TVUZUIDESA-N
MW215.36 g/mol
LogP1.77
Rot. Bonds2

About trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol (PubChem CID 131223427) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol
PubChem CID131223427
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Nametrans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol
SMILESCC1CC(N[C@H]2CCCC[C@@H]2O)CS1
InChIInChI=1S/C11H21NOS/c1-8-6-9(7-14-8)12-10-4-2-3-5-11(10)13/h8-13H,2-7H2,1H3/t8?,9?,10-,11-/m0/s1
InChIKeyOFYBGQAKQWEBER-TVUZUIDESA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-5-methylthiolan-3-amine
CID 79942156
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733566
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-[(3-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 104871484
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol (CID 131223427) is trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol is CC1CC(N[C@H]2CCCC[C@@H]2O)CS1.
What is the InChIKey of trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol?
The InChIKey is OFYBGQAKQWEBER-TVUZUIDESA-N. The full InChI is InChI=1S/C11H21NOS/c1-8-6-9(7-14-8)12-10-4-2-3-5-11(10)13/h8-13H,2-7H2,1H3/t8?,9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 131223427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).